| scholarly article | Q13442814 |
| review article | Q7318358 |
| P50 | author | Robert W Molt | Q60061651 |
| Yi Jin | Q38799316 | ||
| P2093 | author name string | G Michael Blackburn | |
| P2860 | cites work | Inhomogeneous Electron Gas | Q21709392 |
| Enzyme-Catalyzed Phosphoryl Transfer Reactions | Q22255662 | ||
| MgF(3)(-) as a transition state analog of phosphoryl transfer | Q24292944 | ||
| Crystal structure of human diphosphoinositol phosphatase 1 | Q24311982 | ||
| The Ras-RasGAP Complex: Structural Basis for GTPase Activation and Its Loss in Oncogenic Ras Mutants | Q24317051 | ||
| Fluoride complexes of aluminium or beryllium act on G-proteins as reversibly bound analogues of the gamma phosphate of GTP | Q24556037 | ||
| Biological phosphoryl-transfer reactions: understanding mechanism and catalysis | Q24617627 | ||
| Self-Consistent Equations Including Exchange and Correlation Effects | Q25939002 | ||
| pH influences fluoride coordination number of the AlFx phosphoryl transfer transition state analog | Q27619196 | ||
| Structural characterization of the reaction pathway in phosphoserine phosphatase: crystallographic "snapshots" of intermediate states | Q27639094 | ||
| The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction | Q27640704 | ||
| Analysis of the Structural Determinants Underlying Discrimination between Substrate and Solvent in β-Phosphoglucomutase Catalysis † ‡ | Q27653467 | ||
| Crystal structure of the sodium-potassium pump at 2.4 A resolution | Q27655556 | ||
| A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT | Q27656939 | ||
| Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by Formula rather than by phosphoranes | Q27659897 | ||
| Transition state analogue structures of human phosphoglycerate kinase establish the importance of charge balance in catalysis | Q27660571 | ||
| Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: implications for the mechanism of GTP hydrolysis | Q27674619 | ||
| Near attack conformers dominate -phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate | Q27678553 | ||
| Structural basis of myosin V Rab GTPase-dependent cargo recognition | Q27680629 | ||
| Molecular Features of Product Release for the PKA Catalytic Cycle | Q27684885 | ||
| A study of oxidative phosphorylation with O18-labeled inorganic phosphate | Q73182133 | ||
| Formation constants beta(2) of calcium and magnesium fluorides at 25 degrees C | Q79747827 | ||
| Long-range deuterium isotope effects on (13)C chemical shifts of intramolecularly hydrogen-bonded N-substituted 3-(cycloamine)thiopropionamides or amides: a case of electric field effects | Q80240431 | ||
| Why does mutation of Gln61 in Ras by the nitro analog NGln maintain activity of Ras-GAP in hydrolysis of guanosine triphosphate? | Q86149583 | ||
| Computational characterization of the chemical step in the GTP hydrolysis by Ras-GAP for the wild-type and G13V mutated Ras | Q87015820 | ||
| Gas phase RDX decomposition pathways using coupled cluster theory | Q88499691 | ||
| Metal Fluorides as Analogues for Studies on Phosphoryl Transfer Enzymes. | Q39013099 | ||
| 31P NMR studies of the arginine kinase reaction. Equilibrium constants and exchange rates at stoichiometric enzyme concentration | Q40027266 | ||
| Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme | Q40308379 | ||
| A QM/MM study of Kemptide phosphorylation catalyzed by protein kinase A. The role of Asp166 as a general acid/base catalyst | Q41655364 | ||
| Mechanisms of signaling and related enzymes | Q41668610 | ||
| Mechanism of the αβ conformational change in F1-ATPase after ATP hydrolysis: free-energy simulations | Q42183038 | ||
| The GTPase hGBP1 converts GTP to GMP in two steps via proton shuttle mechanisms | Q42314400 | ||
| Exploring the mechanism of DNA polymerases by analyzing the effect of mutations of active site acidic groups in Polymerase β | Q42598180 | ||
| Pentacoordinated phosphorus revisited by high-level QM/MM calculations. | Q42985865 | ||
| A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu | Q43084146 | ||
| MgF(3)(-) and alpha-galactose 1-phosphate in the active site of beta-phosphoglucomutase form a transition state analogue of phosphoryl transfer | Q43256007 | ||
| High-energy intermediate or stable transition state analogue: theoretical perspective of the active site and mechanism of beta-phosphoglucomutase | Q44919049 | ||
| Quantum chemical modeling of the GTP hydrolysis by the RAS-GAP protein complex | Q44946651 | ||
| On the mechanism of hydrolysis of phosphate monoesters dianions in solutions and proteins | Q44955947 | ||
| Interaction of myosin.ADP.fluorometal complexes with fluorescent probes and direct observation using quick-freeze deep-etch electron microscopy | Q44989746 | ||
| Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues | Q45078371 | ||
| QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate. | Q46500571 | ||
| Anionic charge is prioritized over geometry in aluminum and magnesium fluoride transition state analogs of phosphoryl transfer enzymes | Q46719706 | ||
| Role of the arginine finger in Ras.RasGAP revealed by QM/MM calculations | Q46893990 | ||
| Associative versus dissociative mechanisms of phosphate monoester hydrolysis: on the interpretation of activation entropies | Q46894344 | ||
| Theoretical studies of cyclic adenosine monophosphate dependent protein kinase: native enzyme and ground-state and transition-state analogues. | Q46974303 | ||
| 19F and 31P NMR spectroscopy of G protein alpha subunits. Mechanism of activation by Al3+ and F-. | Q48793284 | ||
| Hydrolysis of Guanosine Triphosphate (GTP) by the Ras·GAP Protein Complex: Reaction Mechanism and Kinetic Scheme. | Q50853701 | ||
| Semiempirical GGA-type density functional constructed with a long-range dispersion correction. | Q51629241 | ||
| Mitochondrial ATP synthase catalytic mechanism: a novel visual comparative structural approach emphasizes pivotal roles for Mg²⁺ and P-loop residues in making ATP. | Q52620517 | ||
| Magnetic resonance and kinetic studies of the mechanism of sodium and potassium ion-activated adenosine triphosphatase. | Q52906864 | ||
| Modeling the role of G12V and G13V Ras mutations in the Ras-GAP-catalyzed hydrolysis reaction of guanosine triphosphate. | Q53009344 | ||
| A Projector-Embedding Approach for Multiscale Coupled-Cluster Calculations Applied to Citrate Synthase. | Q53103962 | ||
| A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutant. | Q54329542 | ||
| Simulation of catalytic water activation in mitochondrial F1-ATPase using a hybrid quantum mechanics/molecular mechanics approach: an alternative role for β-Glu 188. | Q54457080 | ||
| Charge-balanced metal fluoride complexes for protein kinase A with adenosine diphosphate and substrate peptide SP20. | Q54473450 | ||
| Prioritization of charge over geometry in transition state analogues of a dual specificity protein kinase. | Q54610513 | ||
| A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples | Q56749893 | ||
| Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation | Q57402011 | ||
| The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun | Q57402104 | ||
| A DFT study of the applicability of the charge balance model in two-metal enzymes: The case of cAMP-dependent protein kinase | Q57990971 | ||
| A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions | Q58201162 | ||
| How to name atoms in phosphates, polyphosphates, their derivatives and mimics, and transition state analogues for enzyme-catalysed phosphoryl transfer reactions (IUPAC Recommendations 2016) | Q58486556 | ||
| On the catalytic mechanism of dimeric dUTPases | Q27685456 | ||
| Molecular switch for signal transduction: structural differences between active and inactive forms of protooncogenic ras proteins | Q27686798 | ||
| NMR structure of the HWE kinase associated response regulator Sma0114 in its activated state | Q27688023 | ||
| Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region | Q27704511 | ||
| X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4- | Q27729777 | ||
| GTPase mechanism of Gproteins from the 1.7-A crystal structure of transducin alpha-GDP-AIF-4 | Q27730775 | ||
| Structures of active conformations of Gi alpha 1 and the mechanism of GTP hydrolysis | Q27730891 | ||
| AlF3 mimics the transition state of protein phosphorylation in the crystal structure of nucleoside diphosphate kinase and MgADP | Q27735895 | ||
| Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative | Q27742621 | ||
| Saccharomyces cerevisiae Ski7 Is a GTP-Binding Protein Adopting the Characteristic Conformation of Active Translational GTPases | Q27937196 | ||
| Magnesium fluoride-dependent binding of small G proteins to their GTPase-activating proteins | Q28137704 | ||
| Enzyme catalysis: not different, just better | Q28269755 | ||
| Why does the Ras switch "break" by oncogenic mutations? | Q30339075 | ||
| Quantum chemical studies of protein structure | Q30351363 | ||
| Ternary hydroxide complexes in neutral solutions of Al3+ and F-. | Q30461858 | ||
| Catalytic strategy used by the myosin motor to hydrolyze ATP. | Q30585361 | ||
| α-Fluorophosphonates reveal how a phosphomutase conserves transition state conformation over hexose recognition in its two-step reaction. | Q30841403 | ||
| (19)F NMR and DFT Analysis Reveal Structural and Electronic Transition State Features for RhoA-Catalyzed GTP Hydrolysis | Q31040971 | ||
| Accurate description of van der Waals complexes by density functional theory including empirical corrections | Q34329893 | ||
| Why nature chose phosphates | Q34658466 | ||
| The rate of hydrolysis of phosphomonoester dianions and the exceptional catalytic proficiencies of protein and inositol phosphatases | Q35021679 | ||
| Domain motion of individual F1-ATPase β-subunits during unbiased molecular dynamics simulations | Q35064505 | ||
| A Trojan horse transition state analogue generated by MgF3- formation in an enzyme active site. | Q35075447 | ||
| Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT. | Q35860641 | ||
| Structure and mechanism of the ATPase that powers viral genome packaging | Q35895531 | ||
| Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations | Q36279979 | ||
| Aluminum: a requirement for activation of the regulatory component of adenylate cyclase by fluoride | Q36307538 | ||
| SOME ASPECTS OF PHOSPHATE CHEMISTRY. | Q36430161 | ||
| Incorrect nucleotide insertion at the active site of a G:A mismatch catalyzed by DNA polymerase beta | Q36557917 | ||
| Enzymatic mechanisms of phosphate and sulfate transfer. | Q36559640 | ||
| Quantitative exploration of the molecular origin of the activation of GTPase | Q37409341 | ||
| Why nature really chose phosphate | Q38073986 | ||
| Chiral phosphorothioates: stereochemical analysis of enzymatic substitution at phosphorus. | Q38638804 | ||
| P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P433 | issue | 2 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | inorganic compound | Q190065 |
| enzyme | Q8047 | ||
| organic compound, having C-P covalent bound | Q2182492 | ||
| fluoride | Q44793182 | ||
| P304 | page(s) | 36 | |
| P577 | publication date | 2017-03-15 | |
| 2017-04-01 | |||
| P1433 | published in | Topics in Current Chemistry | Q2443282 |
| P1476 | title | Metal Fluorides: Tools for Structural and Computational Analysis of Phosphoryl Transfer Enzymes | |
| P478 | volume | 375 |
| Q60959760 | Evolution of cation binding in the active sites of P-loop nucleoside triphosphatases in relation to the basic catalytic mechanism |
| Q45455183 | Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions |
| Q92111425 | Metastable dianions and dications |
| Q90174687 | Zinc, an unexpected integrator of metabolism? |
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